butyl 2-[methyl-(2-methyloxolan-3-yl)amino]acetate

C12H23NO3 — CID 82739857

IUPACbutyl 2-[methyl-(2-methyloxolan-3-yl)amino]acetate
SMILESCCCCOC(=O)CN(C)C1CCOC1C
InChIInChI=1S/C12H23NO3/c1-4-5-7-16-12(14)9-13(3)11-6-8-15-10(11)2/h10-11H,4-9H2,1-3H3
InChIKeyITXOGMKEAIGFMB-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.44
Rot. Bonds6

About butyl 2-[methyl-(2-methyloxolan-3-yl)amino]acetate

butyl 2-[methyl-(2-methyloxolan-3-yl)amino]acetate (PubChem CID 82739857) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is butyl 2-[methyl-(2-methyloxolan-3-yl)amino]acetate.

Molecular Properties

Compound Namebutyl 2-[methyl-(2-methyloxolan-3-yl)amino]acetate
PubChem CID82739857
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Namebutyl 2-[methyl-(2-methyloxolan-3-yl)amino]acetate
SMILESCCCCOC(=O)CN(C)C1CCOC1C
InChIInChI=1S/C12H23NO3/c1-4-5-7-16-12(14)9-13(3)11-6-8-15-10(11)2/h10-11H,4-9H2,1-3H3
InChIKeyITXOGMKEAIGFMB-UHFFFAOYSA-N
XLogP1.44
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze butyl 2-[methyl-(2-methyloxolan-3-yl)amino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

butyl 2-[methyl-(4-methylcyclohexyl)amino]acetate
CID 54940545
butyl 2-[methyl-(4-oxocyclohexyl)amino]acetate
CID 79119526
ethyl 3-hydroxy-4-[methyl-(2-methyloxolan-3-yl)amino]butanoate
CID 82769885
1-(5-ethylthiophen-2-yl)-2-[methyl-(2-methyloxolan-3-yl)amino]ethanone
CID 82742156
butyl 2-(dimethylamino)acetate;methane
CID 157088664
1-(4-ethylphenyl)-2-[methyl-(2-methyloxolan-3-yl)amino]ethanone
CID 82742550
ethyl 2-[methyl-(2-methyloxolan-3-yl)amino]pentanoate
CID 83049005
2-[4-[2-[methyl-(2-methyloxolan-3-yl)amino]ethoxy]phenyl]acetic acid
CID 82735547
4-[methyl-(2-methyloxolan-3-yl)amino]butan-1-ol
CID 115778219
1-(2-chlorophenyl)-2-[methyl-(2-methyloxolan-3-yl)amino]ethanone
CID 82742948
butyl 2-[acetyl(cyclohexyl)amino]acetate
CID 57021801
1-ethoxy-3-[methyl-(2-methyloxolan-3-yl)amino]propan-2-ol
CID 82748351

Frequently Asked Questions

What is the IUPAC name of butyl 2-[methyl-(2-methyloxolan-3-yl)amino]acetate?
The IUPAC name of butyl 2-[methyl-(2-methyloxolan-3-yl)amino]acetate (CID 82739857) is butyl 2-[methyl-(2-methyloxolan-3-yl)amino]acetate.
What is the SMILES notation for butyl 2-[methyl-(2-methyloxolan-3-yl)amino]acetate?
The canonical SMILES for butyl 2-[methyl-(2-methyloxolan-3-yl)amino]acetate is CCCCOC(=O)CN(C)C1CCOC1C.
What is the InChIKey of butyl 2-[methyl-(2-methyloxolan-3-yl)amino]acetate?
The InChIKey is ITXOGMKEAIGFMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-4-5-7-16-12(14)9-13(3)11-6-8-15-10(11)2/h10-11H,4-9H2,1-3H3.
What are the key properties of butyl 2-[methyl-(2-methyloxolan-3-yl)amino]acetate?
butyl 2-[methyl-(2-methyloxolan-3-yl)amino]acetate has a molecular weight of 229.32 g/mol, XLogP of 1.44, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-[methyl-(2-methyloxolan-3-yl)amino]acetate is sourced from PubChem (CID 82739857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).